4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C11H19N5O — CID 115584087

IUPAC4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2nncn2C)CC1
InChIInChI=1S/C11H19N5O/c1-9-3-5-16(6-4-9)11(17)12-7-10-14-13-8-15(10)2/h8-9H,3-7H2,1-2H3,(H,12,17)
InChIKeyXPLZERPIJDRROQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.76
Rot. Bonds2

About 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 115584087) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID115584087
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2nncn2C)CC1
InChIInChI=1S/C11H19N5O/c1-9-3-5-16(6-4-9)11(17)12-7-10-14-13-8-15(10)2/h8-9H,3-7H2,1-2H3,(H,12,17)
InChIKeyXPLZERPIJDRROQ-UHFFFAOYSA-N
XLogP0.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81125435
2-[4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62311321
2-[4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62824868
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112835991
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
ethyl 1-[N'-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119130243
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 115584087) is 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is CC1CCN(C(=O)NCc2nncn2C)CC1.
What is the InChIKey of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is XPLZERPIJDRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9-3-5-16(6-4-9)11(17)12-7-10-14-13-8-15(10)2/h8-9H,3-7H2,1-2H3,(H,12,17).
What are the key properties of 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 115584087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).